[(2E,5Z)-7-Ethoxy-4,7-Dioxohepta-2,5-Dienyl] Benzoate
[CAS# 135626-22-1]

Identification

• Name: [(2E,5Z)-7-Ethoxy-4,7-Dioxohepta-2,5-Dienyl] Benzoate
• Synonyms: [(2E,5Z)-7-Ethoxy-4,7-Dioxo-Hepta-2,5-Dienyl] Benzoate; Benzoic Acid [(2E,5Z)-7-Ethoxy-4,7-Dioxohepta-2,5-Dienyl] Ester; Benzoic Acid [(2E,5Z)-7-Ethoxy-4,7-Diketo-Hepta-2,5-Dienyl] Ester
• Molecular Formula: C₁₆H₁₆O₅
• Molecular Weight: 288.30
• CAS Registry Number: 135626-22-1
• SMILES: C1=C(C(OC/C=C/C(=O)/C=C\C(OCC)=O)=O)C=CC=C1
• InChI: 1S/C16H16O5/c1-2-20-15(18)11-10-14(17)9-6-12-21-16(19)13-7-4-3-5-8-13/h3-11H,2,12H2,1H3/b9-6+,11-10-
• InChIKey: FCTFULMZKQYRQV-RQDFUGDESA-N

Properties

• Density: 1.166g/cm³ (Cal.)
• Boiling point: 445.206°C at 760 mmHg (Cal.)
• Flash point: 197.401°C (Cal.)